SCHEMBL8536340

SCHEMBL8536340

c1ccc(N2CCN(c3nc(N4CCN(c5ccccc5)CC4)nc(-n4ccnc4)n3)CC2)cc1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 10/20 0.86
LMNA P02545 6/20 0.86
NPSR1 Q6W5P4 6/20 0.86
MAPT P10636 6/20 0.86
HTT P42858 3/20 0.86
POLB P06746 1/20 0.86
CYP3A4 P08684 4/20 0.66
CYP1A2 P05177 2/20 0.66
CYP2D6 P10635 2/20 0.66
CYP2C9 P11712 2/20 0.66
CYP2C19 P33261 2/20 0.66
GPR55 Q9Y2T6 1/20 0.66
TP53 P04637 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.61
HSD17B10 Q99714 1/20 0.61
USP2 O75604 2/20 0.59
TDP1 Q9NUW8 2/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
ALOX15 P16050 2/20 0.59

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8534074 1.00 TSHR (0.86) TSHRLMNANPSR1MAPTHTT
SCHEMBL8535233 0.80 TSHR (0.72) TSHRLMNANPSR1MAPTHTT
SCHEMBL8537182 0.80 TSHR (0.72) TSHRLMNANPSR1MAPTHTT
SCHEMBL8537076 0.80 TSHR (0.60) TSHRLMNANPSR1MAPTHTT
SCHEMBL8538438 0.80 TSHR (0.60) TSHRLMNANPSR1MAPTHTT
SCHEMBL8537286 0.79 MAPT (0.58) TSHRLMNANPSR1MAPTHTT
SCHEMBL8533965 0.79 MAPT (0.58) TSHRLMNANPSR1MAPTHTT
SCHEMBL8539843 0.79 TSHR (0.77) TSHRLMNANPSR1MAPTHTT
SCHEMBL3278610 0.79 LMNA (0.57) TSHRLMNANPSR1MAPTHTT
SCHEMBL8533688 0.79 LMNA (0.57) TSHRLMNANPSR1MAPTHTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0629622-B1 S-TRIAZINE DERIVATIVE AND REMEDY FOR ESTROGEN-DEPENDENT DISEASES CONTAINING THE SAME AS ACTIVE INGREDIENT ZENYAKU KOGYO KK (JP) 1998-11-11 EP disclosed
US-5489591-A INHIBITORS OF AROMATASE; TREATING ENDOMETRIOSIS, BREAST CANCER CYSTIC OVARIES ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 1996-02-06 US disclosed
EP-0629622-A1 s-TRIAZINE DERIVATIVE AND REMEDY FOR ESTROGEN-DEPENDENT DISEASES CONTAINING THE SAME AS ACTIVE INGREDIENT ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 1994-12-21 EP disclosed